[(1R,2S)-2-methoxy-5-oxidanylidene-cyclopent-3-en-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2S)-2-methoxy-5-oxidanylidene-cyclopent-3-en-1-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,2S)-2-methoxy-5-oxo-cyclopent-3-en-1-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2S)-2-methoxy-5-oxo-1-cyclopent-3-enyl] ester IUPAC Name: [(1R,2S)-2-methoxy-5-oxocyclopent-3-en-1-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,5S)-2-keto-5-methoxy-cyclopent-3-en-1-yl] ester Formula: C13H10N2O8 MolecularWeight: 322.2271

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC(=O)C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CO[C@H]1C=CC(=O)[C@@H]1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O8/c1-22-11-3-2-10(16)12(11)23-13(17)7-4-8(14(18)19)6-9(5-7)15(20)21/h2-6,11-12H,1H3/t11-,12-/m0/s1